(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride

C14H20ClNO — CID 43810626

IUPAC(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12;/h3-4,9,12,15H,5-8H2,1-2H3;1H
InChIKeyGESHBXUPAIRJKV-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.91
Rot. Bonds2

About (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride

(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 43810626) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID43810626
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12;/h3-4,9,12,15H,5-8H2,1-2H3;1H
InChIKeyGESHBXUPAIRJKV-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride (CID 43810626) is (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride is Cc1ccc(C(=O)C2CCNCC2)c(C)c1.Cl.
What is the InChIKey of (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is GESHBXUPAIRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12;/h3-4,9,12,15H,5-8H2,1-2H3;1H.
What are the key properties of (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride?
(2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 43810626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).